1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene

C192H261F8N9O12 — CID 158624463

IUPAC1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)Oc1ccccc1C(C)C.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)CC(=O)C=C2.CC(C)c1ccc2c(c1)CC(=O)CC2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2[nH]c(=O)ccc12.CC(C)c1cccc2c1CCC(=O)N2.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCCCC1=O.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H19NO.C13H16O.C13H14O.C12H13NO.2C12H15NO.C12H13NO.C12H13N.C12H18O.2C11H13NO.C10H11F3O.C10H11F3.C10H12F2O.C10H11N.9C2H6/c1-11(2)12-7-3-4-8-13(12)15-10-6-5-9-14(15)16;2*1-9(2)11-4-3-10-5-6-13(14)8-12(10)7-11;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;2*1-8(2)9-4-3-5-11-10(9)6-7-12(14)13-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-8(2)10-6-4-3-5-9(10)7-11;9*1-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-5,8H,6-7H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3-9H,1-2H3;5-10H,1-4H3;2*3-5,7H,6H2,1-2H3,(H,12,13);3-7H,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;9*1-2H3
InChIKeyHYKKZHAHLFTBQM-UHFFFAOYSA-N
MW3039.23 g/mol
LogP53.17
Rot. Bonds21

About 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene

1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 158624463) has the molecular formula C192H261F8N9O12 and a molecular weight of 3039.23 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID158624463
Molecular FormulaC192H261F8N9O12
Molecular Weight3039.23 g/mol
Exact Mass3037.00
IUPAC Name1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)Oc1ccccc1C(C)C.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)CC(=O)C=C2.CC(C)c1ccc2c(c1)CC(=O)CC2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2[nH]c(=O)ccc12.CC(C)c1cccc2c1CCC(=O)N2.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCCCC1=O.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H19NO.C13H16O.C13H14O.C12H13NO.2C12H15NO.C12H13NO.C12H13N.C12H18O.2C11H13NO.C10H11F3O.C10H11F3.C10H12F2O.C10H11N.9C2H6/c1-11(2)12-7-3-4-8-13(12)15-10-6-5-9-14(15)16;2*1-9(2)11-4-3-10-5-6-13(14)8-12(10)7-11;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;2*1-8(2)9-4-3-5-11-10(9)6-7-12(14)13-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-8(2)10-6-4-3-5-9(10)7-11;9*1-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-5,8H,6-7H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3-9H,1-2H3;5-10H,1-4H3;2*3-5,7H,6H2,1-2H3,(H,12,13);3-7H,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;9*1-2H3
InChIKeyHYKKZHAHLFTBQM-UHFFFAOYSA-N
XLogP53.17
TPSA300.94 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003039.23
LogP ≤ 553.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide
CID 155277895
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide
CID 155277930
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155277931
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155277933
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155277957
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-3-fluorobenzamide
CID 155278010
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[(2R)-2-[(dimethylamino)methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155278011
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155278012
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155278014
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155278018
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperazin-1-yl]-3-fluorobenzamide
CID 155278024
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[(2S)-2-[(dimethylamino)methyl]-4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluorobenzamide
CID 155278077

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene (CID 158624463) is 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)Oc1ccccc1C(C)C.CC(C)c1ccc2[nH]c(=O)ccc2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)CC(=O)C=C2.CC(C)c1ccc2c(c1)CC(=O)CC2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)CNC2=O.CC(C)c1ccc2cccnc2c1.CC(C)c1cccc2[nH]c(=O)ccc12.CC(C)c1cccc2c1CCC(=O)N2.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1N1CCCCC1=O.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1ccccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is HYKKZHAHLFTBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H16O.C13H14O.C12H13NO.2C12H15NO.C12H13NO.C12H13N.C12H18O.2C11H13NO.C10H11F3O.C10H11F3.C10H12F2O.C10H11N.9C2H6/c1-11(2)12-7-3-4-8-13(12)15-10-6-5-9-14(15)16;2*1-9(2)11-4-3-10-5-6-13(14)8-12(10)7-11;1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;2*1-8(2)9-4-3-5-11-10(9)6-7-12(14)13-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-7(2)8-3-4-10-9(5-8)6-12-11(10)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-8(2)10-6-4-3-5-9(10)7-11;9*1-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3;3-4,7,9H,5-6,8H2,1-2H3;3-7,9H,8H2,1-2H3;3-8H,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-5,8H,6-7H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3-9H,1-2H3;5-10H,1-4H3;2*3-5,7H,6H2,1-2H3,(H,12,13);3-7H,1-2H3;3-7H,1-2H3;3-7,10H,1-2H3;3-6,8H,1-2H3;9*1-2H3.
What are the key properties of 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene?
1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 3039.23 g/mol, XLogP of 53.17, 21 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-propan-2-ylbenzene;ethane;2-propan-2-ylbenzonitrile;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;7-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;5-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;7-propan-2-yl-1H-naphthalen-2-one;1-(2-propan-2-ylphenyl)piperidin-2-one;1-propan-2-yl-2-propan-2-yloxybenzene;7-propan-2-ylquinoline;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1H-quinolin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene;1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158624463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).